Nanotwin assisted reversible formation of low angle grain boundary upon reciprocating shear load

Li, Shuang; Chen, Nanjun; Rohatgi, Aashish; Li, Yulan; Powell, Cynthia A.; Mathaudhu, Suveen; Devaraj, Arun; Hu, Shenyang; Wang, Chongmin

doi:10.1016/j.actamat.2022.117850

Nanotwin assisted reversible formation of low angle grain boundary upon reciprocating shear load

Journal Article · Wed Mar 16 00:00:00 EDT 2022 · Acta Materialia

DOI:https://doi.org/10.1016/j.actamat.2022.117850· OSTI ID:1922047

Li, Shuang ^[1]; ^[2]; ^[2]; Li, Yulan ^[2]; Powell, Cynthia A. ^[2]; Mathaudhu, Suveen ^[3]; ^[2]; ^[2]; ^[1]

Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Environmental Molecular Sciences Lab. (EMSL)
Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Colorado School of Mines, Golden, CO (United States)

Severe plastic deformation of metals is known to lead to superior properties that cannot be achieved by any traditional metallurgic process. Origin of the superior properties is perceived to be closely associated with grain refinement, a fundamental process during the severe plastic deformation, which is essentially the formation of new grain boundaries. However, the atomistic mechanism of grain boundary formation remains largely obscure. Here, by using in-situ transmission electron microscopy and molecular dynamic simulation, we reveal, for the first time at atomic level, the shear-induced low-angle grain boundary (LAGB) formation processes in Au nanocrystal. In this work, we discover the LAGB formation is accomplished through inward propagation of nanotwins accompanied by dislocations gliding on the twin boundaries, a nanotwin-mediated dislocation slip mechanism, which shows reversible characteristic under reciprocating shear load and is affected by the nanocrystal microstructure and orientation. Our result unveils unprecedented atomistic insights on shear driven grain refinement towards nanostructure of superior properties.

View Accepted Manuscript (DOE)

Research Organization:: Pacific Northwest National Laboratory (PNNL), Richland, WA (United States). Environmental Molecular Sciences Laboratory (EMSL)

Sponsoring Organization:: USDOE; USDOE Laboratory Directed Research and Development (LDRD) Program; USDOE Office of Science (SC), Biological and Environmental Research (BER)

Grant/Contract Number:: AC05-76RL01830

OSTI ID:: 1922047

Alternate ID(s):: OSTI ID: 1960898

Report Number(s):: PNNL-SA-167698

Journal Information:: Acta Materialia, Journal Name: Acta Materialia Vol. 230; ISSN 1359-6454

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

References (49)

Fast Parallel Algorithms for Short-Range Molecular Dynamics Plimpton, Steve Journal of Computational Physics, Vol. 117, Issue 1 https://doi.org/10.1006/jcph.1995.1039	journal	March 1995
Prediction of Generation of High- and Low-Angle Grain Boundaries (HAGB and LAGB) During Severe Plastic Deformation Muñoz, Jairo Alberto; Bolmaro, Raúl E.; Jorge, Alberto Moreira Metallurgical and Materials Transactions A, Vol. 51, Issue 9 https://doi.org/10.1007/s11661-020-05873-3	journal	June 2020
Exploring Deformation Mechanisms in Nanostructured Materials Greer, Julia R.; Jang, Dongchan; Gu, X. Wendy JOM, Vol. 64, Issue 10 https://doi.org/10.1007/s11837-012-0438-6	journal	September 2012
Observation and measurement of grain rotation and plastic strain in nanostructured metal thin films Ke, M.; Hackney, S. A.; Milligan, W. W. Nanostructured Materials, Vol. 5, Issue 6 https://doi.org/10.1016/0965-9773(95)00281-I	journal	August 1995
Bulk nanostructured materials from severe plastic deformation Valiev, R. Z.; Islamgaliev, R. K.; Alexandrov, I. V. Progress in Materials Science, Vol. 45, Issue 2 https://doi.org/10.1016/S0079-6425(99)00007-9	journal	March 2000
Quantitative measurement of displacement and strain fields from HREM micrographs Hÿtch, M. J.; Snoeck, E.; Kilaas, R. Ultramicroscopy, Vol. 74, Issue 3, p. 131-146 https://doi.org/10.1016/S0304-3991(98)00035-7	journal	August 1998
Influence of channel angle on the development of ultrafine grains in equal-channel angular pressing Nakashima, Kiyotaka; Horita, Zenji; Nemoto, Minoru Acta Materialia, Vol. 46, Issue 5 https://doi.org/10.1016/S1359-6454(97)00355-8	journal	March 1998
Plastic strain-induced grain refinement at the nanometer scale in copper Wang, K.; Tao, N. R.; Liu, G. Acta Materialia, Vol. 54, Issue 19 https://doi.org/10.1016/j.actamat.2006.07.013	journal	November 2006
In situ TEM straining of single crystal Au films on polyimide: Change of deformation mechanisms at the nanoscale Oh, S. H.; Legros, M.; Kiener, D. Acta Materialia, Vol. 55, Issue 16 https://doi.org/10.1016/j.actamat.2007.06.015	journal	September 2007
Predicting twinning stress in fcc metals: Linking twin-energy pathways to twin nucleation Kibey, S.; Liu, J. B.; Johnson, D. D. Acta Materialia, Vol. 55, Issue 20 https://doi.org/10.1016/j.actamat.2007.08.042	journal	December 2007
Grain boundary shear–migration coupling—I. In situ TEM straining experiments in Al polycrystals Mompiou, F.; Caillard, D.; Legros, M. Acta Materialia, Vol. 57, Issue 7 https://doi.org/10.1016/j.actamat.2009.01.014	journal	April 2009
Extreme grain refinement by severe plastic deformation: A wealth of challenging science Estrin, Y.; Vinogradov, A. Acta Materialia, Vol. 61, Issue 3 https://doi.org/10.1016/j.actamat.2012.10.038	journal	February 2013
Interactions between lattice dislocation and Lomer-type low-angle grain boundary in nickel Gao, Yun; Jin, Zhaohui Computational Materials Science, Vol. 138 https://doi.org/10.1016/j.commatsci.2017.06.025	journal	October 2017
On the stacking fault energy related deformation mechanism of nanocrystalline Cu and Cu alloys: A first-principles and TEM study Zhang, Yong; Guo, Jinming; Chen, Jianghua Journal of Alloys and Compounds, Vol. 776 https://doi.org/10.1016/j.jallcom.2018.10.275	journal	March 2019
Influence of grain size on deformation mechanisms: An extension to nanocrystalline materials Zhu, Yuntian T.; Langdon, Terence G. Materials Science and Engineering: A, Vol. 409, Issue 1-2 https://doi.org/10.1016/j.msea.2005.05.111	journal	November 2005
Nanoscale structural refinement via deformation twinning in face-centered cubic metals Tao, N. R.; Lu, K. Scripta Materialia, Vol. 60, Issue 12 https://doi.org/10.1016/j.scriptamat.2009.02.008	journal	June 2009
Grain boundary formation by remnant dislocations from the de-twinning of thin nano-twins Cao, Y.; Wang, Y. B.; An, X. H. Scripta Materialia, Vol. 100 https://doi.org/10.1016/j.scriptamat.2015.01.001	journal	April 2015
Wear mechanism transition dominated by subsurface recrystallization structure in Cu–Al alloys Chen, X.; Han, Z.; Lu, K. Wear, Vol. 320 https://doi.org/10.1016/j.wear.2014.08.010	journal	December 2014
Mechanically Driven Grain Boundary Formation in Nickel Nanowires Wang, Lihua; Kong, Deli; Zhang, Yin ACS Nano, Vol. 11, Issue 12 https://doi.org/10.1021/acsnano.7b06605	journal	November 2017
Softening of nanocrystalline metals at very small grain sizes Schiøtz, Jakob; Di Tolla, Francesco D.; Jacobsen, Karsten W. Nature, Vol. 391, Issue 6667 https://doi.org/10.1038/35328	journal	February 1998
History-independent cyclic response of nanotwinned metals Pan, Qingsong; Zhou, Haofei; Lu, Qiuhong Nature, Vol. 551, Issue 7679 https://doi.org/10.1038/nature24266	journal	October 2017
Discrete plasticity in sub-10-nm-sized gold crystals Zheng, He; Cao, Ajing; Weinberger, Christopher R. Nature Communications, Vol. 1, Issue 1 https://doi.org/10.1038/ncomms1149	journal	December 2010
Dislocation mechanisms and 3D twin architectures generate exceptional strength-ductility-toughness combination in CrCoNi medium-entropy alloy Zhang, Zijiao; Sheng, Hongwei; Wang, Zhangjie Nature Communications, Vol. 8, Issue 1 https://doi.org/10.1038/ncomms14390	journal	February 2017
Near-ideal theoretical strength in gold nanowires containing angstrom scale twins Wang, Jiangwei; Sansoz, Frederic; Huang, Jianyu Nature Communications, Vol. 4, Issue 1 https://doi.org/10.1038/ncomms2768	journal	April 2013
In situ atomic-scale observation of continuous and reversible lattice deformation beyond the elastic limit Wang, Lihua; Liu, Pan; Guan, Pengfei Nature Communications, Vol. 4, Issue 1 https://doi.org/10.1038/ncomms3413	journal	September 2013
Reversible cyclic deformation mechanism of gold nanowires by twinning–detwinning transition evidenced from in situ TEM Lee, Subin; Im, Jiseong; Yoo, Youngdong Nature Communications, Vol. 5, Issue 1 https://doi.org/10.1038/ncomms4033	journal	January 2014
In situ atomic-scale observation of twinning-dominated deformation in nanoscale body-centred cubic tungsten Wang, Jiangwei; Zeng, Zhi; Weinberger, Christopher R. Nature Materials, Vol. 14, Issue 6 https://doi.org/10.1038/nmat4228	journal	March 2015
Measuring surface dislocation nucleation in defect-scarce nanostructures Chen, Lisa Y.; He, Mo-rigen; Shin, Jungho Nature Materials, Vol. 14, Issue 7 https://doi.org/10.1038/nmat4288	journal	May 2015
Deformation mechanisms in nanotwinned metal nanopillars Jang, Dongchan; Li, Xiaoyan; Gao, Huajian Nature Nanotechnology, Vol. 7, Issue 9 https://doi.org/10.1038/nnano.2012.116	journal	July 2012
In situ atomistic observation of disconnection-mediated grain boundary migration Zhu, Qi; Cao, Guang; Wang, Jiangwei Nature Communications, Vol. 10, Issue 1 https://doi.org/10.1038/s41467-018-08031-x	journal	January 2019
Metallic nanocrystals with low angle grain boundary for controllable plastic reversibility Zhu, Qi; Huang, Qishan; Guang, Cao Nature Communications, Vol. 11, Issue 1 https://doi.org/10.1038/s41467-020-16869-3	journal	June 2020
On fitting a gold embedded atom method potential using the force matching method Grochola, Gregory; Russo, Salvy P.; Snook, Ian K. The Journal of Chemical Physics, Vol. 123, Issue 20 https://doi.org/10.1063/1.2124667	journal	November 2005
The stacking-fault energy of F.C.C. metals Dillamore, I. L.; Smallman, R. E. Philosophical Magazine, Vol. 12, Issue 115 https://doi.org/10.1080/14786436508224959	journal	July 1965
Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool Stukowski, Alexander Modelling and Simulation in Materials Science and Engineering, Vol. 18, Issue 1 https://doi.org/10.1088/0965-0393/18/1/015012	journal	December 2009
Structure identification methods for atomistic simulations of crystalline materials Stukowski, Alexander Modelling and Simulation in Materials Science and Engineering, Vol. 20, Issue 4 https://doi.org/10.1088/0965-0393/20/4/045021	journal	May 2012
Robust structural identification via polyhedral template matching Larsen, Peter Mahler; Schmidt, Søren; Schiøtz, Jakob Modelling and Simulation in Materials Science and Engineering, Vol. 24, Issue 5 https://doi.org/10.1088/0965-0393/24/5/055007	journal	May 2016
Lattice Resistance to Dislocation Motion at the Nanoscale Dutta, A.; Bhattacharya, M.; Barat, P. Physical Review Letters, Vol. 101, Issue 11 https://doi.org/10.1103/PhysRevLett.101.115506	journal	September 2008
The Peierls Stress of Dislocations: An Analytic Formula Joós, B.; Duesbery, M. S. Physical Review Letters, Vol. 78, Issue 2 https://doi.org/10.1103/PhysRevLett.78.266	journal	January 1997
Graded Nanostructures Produced by Sliding and Exhibiting Universal Behavior Hughes, D. A.; Hansen, N. Physical Review Letters, Vol. 87, Issue 13 https://doi.org/10.1103/PhysRevLett.87.135503	journal	September 2001
Collective Effects in Grain Boundary Migration Merkle, K. L.; Thompson, L. J.; Phillipp, Fritz Physical Review Letters, Vol. 88, Issue 22 https://doi.org/10.1103/PhysRevLett.88.225501	journal	May 2002
Revealing extreme twin-boundary shear deformability in metallic nanocrystals Zhu, Qi; Kong, Lingyi; Lu, Haiming Science Advances, Vol. 7, Issue 36 https://doi.org/10.1126/sciadv.abe4758	journal	September 2021
POLYCRYSTALLINE MATERIALS: Grain Boundaries and Dislocations Swygenhoven, H. V. Science, Vol. 296, Issue 5565 https://doi.org/10.1126/science.1071040	journal	April 2002
MATERIALS SCIENCE: Deformation of Nanostructures Ovid'ko, I. A. Science, Vol. 295, Issue 5564 https://doi.org/10.1126/science.1071064	journal	March 2002
Deformation Twinning in Nanocrystalline Aluminum Chen, M. Science, Vol. 300, Issue 5623 https://doi.org/10.1126/science.1083727	journal	April 2003
Grain Boundary-Mediated Plasticity in Nanocrystalline Nickel Shan, Z. Science, Vol. 305, Issue 5684 https://doi.org/10.1126/science.1098741	journal	July 2004
Strengthening Materials by Engineering Coherent Internal Boundaries at the Nanoscale Lu, K.; Lu, L.; Suresh, S. Science, Vol. 324, Issue 5925 https://doi.org/10.1126/science.1159610	journal	April 2009
Strain-Induced Ultrahard and Ultrastable Nanolaminated Structure in Nickel Liu, X. C.; Zhang, H. W.; Lu, K. Science, Vol. 342, Issue 6156 https://doi.org/10.1126/science.1242578	journal	October 2013
A fracture-resistant high-entropy alloy for cryogenic applications Gludovatz, B.; Hohenwarter, A.; Catoor, D. Science, Vol. 345, Issue 6201 https://doi.org/10.1126/science.1254581	journal	September 2014
Development of Nanostructures in Metallic Materials with Low Stacking Fault Energies During Surface Mechanical Attrition Treatment (SMAT) Tao, Nairong; Zhang, Hongwang; Lu, Jian MATERIALS TRANSACTIONS, Vol. 44, Issue 10 https://doi.org/10.2320/matertrans.44.1919	journal	January 2003

Similar Records

Investigating the compressive strength and strain localization of nanotwinned nickel alloys

Journal Article · Sat Nov 21 19:00:00 EST 2020 · Acta Materialia · OSTI ID:1724100

Effect of loading path on grain misorientation and geometrically necessary dislocation density in polycrystalline aluminum under reciprocating shear

Journal Article · Sun Jan 23 19:00:00 EST 2022 · Computational Materials Science · OSTI ID:2310938

Related Subjects

36 MATERIALS SCIENCE

Nanotwin assisted reversible formation of low angle grain boundary upon reciprocating shear load

Citation Formats

References (49)

Similar Records

Related Subjects